REMARK  Name = BDB052859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.605  -4.826   0.311  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1       -2.612  -3.447  -0.122  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1       -3.290  -2.921  -1.155  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1       -3.102  -1.667  -1.399  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1       -2.114  -1.170  -0.367  0.00  0.00    +0.191 C 
ATOM      6  C   LIG    1       -1.832  -2.473   0.429  0.00  0.00    +0.258 C 
ATOM      7  O   LIG    1       -1.064  -2.629   1.371  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.838  -0.630  -1.042  0.00  0.00    -0.006 A 
ATOM      9  C   LIG    1        0.336  -0.397  -0.299  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        1.486   0.118  -0.907  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        1.482   0.416  -2.268  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        0.328   0.204  -3.020  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -0.820  -0.309  -2.412  0.00  0.00    +0.007 A 
BRANCH  10  14
ATOM     14  C   LIG    1        2.666   0.345  -0.130  0.00  0.00    -0.066 C 
ATOM     15  C   LIG    1        3.657   0.539   0.521  0.00  0.00    -0.097 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.869   0.778   1.315  0.00  0.00    +0.089 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.138   0.719   0.462  0.00  0.00    +0.015 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.251   1.887  -0.518  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        7.541   1.823  -1.318  0.00  0.00    +0.213 C 
ATOM     20  F   LIG    1        7.585   2.892  -2.158  0.00  0.00    -0.249 F 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  10  14
ENDBRANCH   5   8
BRANCH   5  21
ATOM     21  C   LIG    1       -2.783  -0.071   0.487  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -3.686   0.826  -0.110  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.289   1.847   0.630  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -3.989   2.016   1.980  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1       -3.095   1.138   2.591  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -2.493   0.112   1.850  0.00  0.00    +0.010 A 
BRANCH  24  27
ATOM     27  O   LIG    1       -4.640   3.050   2.591  0.00  0.00    -0.434 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.057   3.529   3.791  0.00  0.00    +0.541 C 
ATOM     29  F   LIG    1       -4.670   4.700   4.099  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.342   2.668   4.799  0.00  0.00    -0.166 F 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH   5  21
BRANCH   3  31
ATOM     31  N   LIG    1       -4.139  -3.663  -1.904  0.00  0.00    -0.331 N 
ATOM     32  H   LIG    1       -4.652  -4.389  -1.421  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -4.736  -3.087  -2.489  0.00  0.00    +0.145 HD
ENDBRANCH   3  31
TORSDOF 10